N-(2-methylsulfanyl-benzothiazol-6-yl)-acetamide | 98714-33-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: N-(2-methylsulfanyl-benzothiazol-6-yl)-acetamide
• 英文别名: N-(2-Methylmercapto-benzothiazol-6-yl)-acetamid；6-Acetamino-2-methylmercapto-benzthiazol；N-(2-(Methylthio)benzo[d]thiazol-6-yl)acetamide；N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide
• CAS: 98714-33-1
• 化学式: C₁₀H₁₀N₂OS₂
• mdl: MFCD03355783
• 分子量: 238.334
• InChiKey: BEPYUFQKUWBKDI-UHFFFAOYSA-N

物化性质

• 熔点：
  167-168.5 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  95.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2-methylsulfanyl-benzothiazol-6-yl)-acetamide 在 N,N-二异丙基乙胺 作用下， 以 乙醇 、 三氯乙烯 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Synthesis and fluorescence characteristics of novel asymmetric cyanine dyes for DNA detection

  摘要：

  Sixteen new asymmetric monomethine cyanine dyes have been synthesized and their spectral characteristics and interaction with double stranded DNA have been investigated. The dyes absorb in the region 453-519 nm and have molar absorptivities in the range 37.900-93.100IM(-1) cm(-1). The dyes do not have intrinsic fluorescence, but in the presence of dsDNA they exhibited a significant enhancement in fluorescence. The most pronounced increase was found for D9, D10, D12 and D16 allowing the recommendation of these dyes as the most sensitive DNA markers. Thermodynamic analysis of cyanine-DNA complexation was carried out using the McGhee & von Hippel non-cooperative excluded site model, and binding parameters have been derived. A hypothesis describing the DNA-dye binding mode has been proposed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.10.002
• 作为产物：
  描述：

  6-氨基-2-巯基苯并噻唑 在 硫酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 2.0h， 生成 N-(2-methylsulfanyl-benzothiazol-6-yl)-acetamide
  参考文献：
  名称：

  Synthesis and fluorescence characteristics of novel asymmetric cyanine dyes for DNA detection

  摘要：

  Sixteen new asymmetric monomethine cyanine dyes have been synthesized and their spectral characteristics and interaction with double stranded DNA have been investigated. The dyes absorb in the region 453-519 nm and have molar absorptivities in the range 37.900-93.100IM(-1) cm(-1). The dyes do not have intrinsic fluorescence, but in the presence of dsDNA they exhibited a significant enhancement in fluorescence. The most pronounced increase was found for D9, D10, D12 and D16 allowing the recommendation of these dyes as the most sensitive DNA markers. Thermodynamic analysis of cyanine-DNA complexation was carried out using the McGhee & von Hippel non-cooperative excluded site model, and binding parameters have been derived. A hypothesis describing the DNA-dye binding mode has been proposed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.10.002

文献信息

• Ushenko,I.K.; Chovnik,L.I., Journal of general chemistry of the USSR, 1960, vol. 30, p. 2640 - 2646
  作者：Ushenko,I.K.、Chovnik,L.I.

  DOI：——

  日期：——
• Kiprianow; Chrapal', 1940, p. 305,308
  作者：Kiprianow、Chrapal'

  DOI：——

  日期：——
• Uschenko, Zhurnal Obshchei Khimii, 1957, vol. 27, p. 1980,1983; engl. Ausg. S. 2040, 2042
  作者：Uschenko

  DOI：——

  日期：——
• SIDOOVA, E.;ODLEROVA, Z.
  作者：SIDOOVA, E.、ODLEROVA, Z.

  DOI：——

  日期：——
• SIDOOVA, E.;ODLEROVA, Z., CHEM. PAP., CSSR, 1985, 39, N 4, 553-557
  作者：SIDOOVA, E.、ODLEROVA, Z.

  DOI：——

  日期：——